N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine

C13H15F2N3 — CID 122165886

IUPACN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCc1nn(C)c(F)c1CNCc1ccc(F)cc1
InChIInChI=1S/C13H15F2N3/c1-9-12(13(15)18(2)17-9)8-16-7-10-3-5-11(14)6-4-10/h3-6,16H,7-8H2,1-2H3
InChIKeyCETMTRNPZVOYLY-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.30
Rot. Bonds4

About N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 122165886) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID122165886
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCc1nn(C)c(F)c1CNCc1ccc(F)cc1
InChIInChI=1S/C13H15F2N3/c1-9-12(13(15)18(2)17-9)8-16-7-10-3-5-11(14)6-4-10/h3-6,16H,7-8H2,1-2H3
InChIKeyCETMTRNPZVOYLY-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122169108
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122169111
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126966351
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122169118
(2S)-2-[[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]methyl]-3-(4-fluorophenyl)propan-1-ol
CID 95139543
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966474
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 60776965
N,N,1,3-tetramethyl-4-[[(4-piperidin-1-ylphenyl)methylamino]methyl]pyrazol-5-amine
CID 51105393
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (CID 122165886) is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is Cc1nn(C)c(F)c1CNCc1ccc(F)cc1.
What is the InChIKey of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is CETMTRNPZVOYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-9-12(13(15)18(2)17-9)8-16-7-10-3-5-11(14)6-4-10/h3-6,16H,7-8H2,1-2H3.
What are the key properties of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 251.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 122165886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).